Summary

IMPPAT Phytochemical identifier: IMPHY011775

Phytochemical name: ethyl beta-D-glucopyranoside

Synonymous chemical names:
ethyl beta-d-glucopyranoside, ethyl glucoside

External chemical identifiers:
CID:121667, ChEBI:168338, ZINC:ZINC000005861418, SureChEMBL:SCHEMBL1129153, MolPort-023-222-206

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Chemical structure information

SMILES:
CCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O

InChI:
InChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8-/m1/s1

InChIKey:
WYUFTYLVLQZQNH-JAJWTYFOSA-N

DeepSMILES:
CCO[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O

Functional groups:
CO, CO[C@@H](C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOCC1

Scaffold Graph/Node level:
C1CCOCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP-Likeness score: 2.348

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Chemical structure download